N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

C14H15NO4 — CID 16524830

IUPACN-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCCNC(=O)COc1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C14H15NO4/c1-3-15-13(16)8-18-10-4-5-11-9(2)6-14(17)19-12(11)7-10/h4-7H,3,8H2,1-2H3,(H,15,16)
InChIKeyNHDTVQJJRGOGNQ-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.62
Rot. Bonds4

About N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (PubChem CID 16524830) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
PubChem CID16524830
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC NameN-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCCNC(=O)COc1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C14H15NO4/c1-3-15-13(16)8-18-10-4-5-11-9(2)6-14(17)19-12(11)7-10/h4-7H,3,8H2,1-2H3,(H,15,16)
InChIKeyNHDTVQJJRGOGNQ-UHFFFAOYSA-N
XLogP1.62
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]-2-(4-methylphenoxy)acetohydrazide
CID 19166677
N-[3-(dimethylamino)propyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 4911670
1-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-propylurea
CID 7996338
4-methyl-7-(2-oxobutoxy)chromen-2-one
CID 62038518
2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]pentanoic acid
CID 4668968
N-ethyl-3-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]benzamide
CID 26000046
(2R)-2-[[2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]acetyl]amino]propanoic acid
CID 51808687
N-cyclopropyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 2571495
N-[(2R)-2-ethylhexyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 9078860
2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 4616193
N-(2,2-diphenylpropyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 27448091
N-(4-fluorophenyl)-2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]acetamide
CID 7967934

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (CID 16524830) is N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is CCNC(=O)COc1ccc2c(C)cc(=O)oc2c1.
What is the InChIKey of N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The InChIKey is NHDTVQJJRGOGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-3-15-13(16)8-18-10-4-5-11-9(2)6-14(17)19-12(11)7-10/h4-7H,3,8H2,1-2H3,(H,15,16).
What are the key properties of N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide has a molecular weight of 261.28 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 16524830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).